Antony John Williams, 0000-0002-2668-4821

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Christopher M GrulkeData Science, Wave Life SciencesVerified email at wavelifesci.com
sean ekinsCollaborations Pharmaceuticals, Inc.Verified email at collaborationspharma.com
Valery TkachenkoPresident, Science Data ExpertsVerified email at sciencedataexperts.com
Kamel Mansouri [orcid:0000-0002-642...Computational Chemist at NIH/NIEHS/DTT/NICEATMVerified email at nih.gov
Kirill BlinovSenior Software Developer, Molecule AppsVerified email at moleculeapps.com
Andrew McEachran, 0000-0003-1423-...Product Owner at Agilent TechnologiesVerified email at agilent.com
Mikhail ElyashbergProfessor, Dr. Sci., Senior Scientist, Advanced Chemistry Development (ACD)Verified email at acdlabs.ru
Gary E. MartinCo-Editor-in-Chief, Magnetic Resonance in Chemistry; Adjunct Professor of Chemistry, Seton HallVerified email at shu.edu
Richard JudsonUS EPA, Center for Computational Toxicology and ExposureVerified email at epa.gov
Grace PatlewiczUS EPAVerified email at epa.gov
Nancy BakerLeidos/EPA/ParlezChemVerified email at epa.gov
Seth R. NewtonChemist, Environmental Protection AgencyVerified email at epa.gov
Mark StrynarUS EPAVerified email at epa.gov
Russell S ThomasDirector, Center for Computational Toxicology and Exposure, U.S. Environmental Protection AgencyVerified email at epa.gov
John WambaughResearch Physical Scientist, U.S. Environmental Protection AgencyVerified email at epa.gov
Alex M. ClarkPresident, Molecular Materials InformaticsVerified email at molmatinf.com
Emma SchymanskiAssoc. Prof & PI, Environmental Cheminformatics, LCSB, Uni LuxembourgVerified email at uni.lu
Egon WillighagenBiGCaT, NUTRIM, Maastricht University/NL, ORCID:0000-0001-7542-0286, https://scholar.social/@egonwVerified email at maastrichtuniversity.nl
Carole GobleProfessor of Computer Science, University of ManchesterVerified email at cs.man.ac.uk
Chris EveloHead Department of Bioinformatics - BiGCaT, Maastricht University ORCID:0000-0002-5301-3142Verified email at maastrichtuniversity.nl

Antony John Williams, 0000-0002-2668-4821

Center of Computational Toxicology and Exposure, Environmental Protection Agency

Verified email at epa.gov - Homepage

Chemistry Cheminformatics Nuclear Magnetic Resonance Drug Discovery


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ChemSpider: an online chemical information resource HE Pence, A Williams Journal of Chemical Education 87 (11), 1123-1124, 2010	993	2010
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry AJ Williams, CM Grulke, J Edwards, AD McEachran, K Mansouri, ... Journal of cheminformatics 9, 1-27, 2017	577	2017
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, ... Journal of computer-aided molecular design 25, 533-554, 2011	495	2011
ToxCast chemical landscape: paving the road to 21st century toxicology AM Richard, RS Judson, KA Houck, CM Grulke, P Volarath, ... Chemical research in toxicology 29 (8), 1225-1251, 2016	468	2016
Open PHACTS: semantic interoperability for drug discovery AJ Williams, L Harland, P Groth, S Pettifer, C Chichester, EL Willighagen, ... Drug discovery today 17 (21-22), 1188-1198, 2012	358	2012
In silico repositioning of approved drugs for rare and neglected diseases S Ekins, AJ Williams, MD Krasowski, JS Freundlich Drug discovery today 16 (7), 298-310, 2011	297	2011
Smart phones, a powerful tool in the chemistry classroom AJ Williams, HE Pence Journal of Chemical Education 88 (6), 683-686, 2011	266	2011
OPERA models for predicting physicochemical properties and environmental fate endpoints K Mansouri, CM Grulke, RS Judson, AJ Williams Journal of cheminformatics 10 (1), 1-19, 2018	262	2018
Major structural components in freshwater dissolved organic matter B Lam, A Baer, M Alaee, B Lefebvre, A Moser, A Williams, AJ Simpson Environmental Science & Technology 41 (24), 8240-8247, 2007	250	2007
The next generation blueprint of computational toxicology at the US Environmental Protection Agency RS Thomas, T Bahadori, TJ Buckley, J Cowden, C Deisenroth, ... Toxicological Sciences 169 (2), 317-332, 2019	191	2019
Identification of “Known Unknowns” Utilizing Accurate Mass Data and ChemSpider APVT James L. Little, Antony J. Williams Journal of the American Society of Mass Spectrometry 23 (1), 179-85, 2012	181*	2012
An ecotoxicological view on neurotoxicity assessment JB Legradi, C Di Paolo, MHS Kraak, HG Van der Geest, EL Schymanski, ... Environmental Sciences Europe 30, 1-34, 2018	175	2018
Linking high resolution mass spectrometry data with exposure and toxicity forecasts to advance high-throughput environmental monitoring JE Rager, MJ Strynar, S Liang, RL McMahen, AM Richard, CM Grulke, ... Environment international 88, 269-280, 2016	166	2016
A bibliometric review of drug repurposing NC Baker, S Ekins, AJ Williams, A Tropsha Drug discovery today 23 (3), 661-672, 2018	159	2018
Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation ME Elyashberg, AJ Williams, GE Martin Progress in Nuclear Magnetic Resonance Spectroscopy 53 (1-2), 1-104, 2008	155	2008
Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA JR Sobus, JF Wambaugh, KK Isaacs, AJ Williams, AD McEachran, ... Journal of exposure science & environmental epidemiology 28 (5), 411-426, 2018	148	2018
The ChEMBL database as linked open data EL Willighagen, A Waagmeester, O Spjuth, P Ansell, AJ Williams, ... Journal of cheminformatics 5 (1), 1-12, 2013	131	2013
The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products KL Dionisio, K Phillips, PS Price, CM Grulke, A Williams, D Biryol, T Hong, ... Scientific data 5 (1), 1-9, 2018	121	2018
Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation. AJ Williams, S Ekins, V Tkachenko Drug Discovery Today 17 (13-14), 685-701, 2012	117	2012
Structural Revisions of Natural Products by Computer‐Assisted Structure Elucidation (CASE) Systems M Elyashberg, AJ Williams, K Blinov Natural Product Reports 27, 1296-1328, 2010	114	2010

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